CID 59941

105310-42-7

Structural Information

Molecular Formula
C17H26N2O
SMILES
CC(C)N(C(C)C)C(=O)[C@@]1(C[C@@H]1CN)C2=CC=CC=C2
InChI
InChI=1S/C17H26N2O/c1-12(2)19(13(3)4)16(20)17(10-15(17)11-18)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11,18H2,1-4H3/t15-,17+/m1/s1
InChIKey
YNXFZOVYRWOMIR-WBVHZDCISA-N
Compound name
cis-(1R,2S)-2-(aminomethyl)-1-phenyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.2045 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.211776 163.1
[M+Na]+ 297.193718 168.8
[M-H]- 273.197224 171.1
[M+NH4]+ 292.238323 176.3
[M+K]+ 313.167658 167.2
[M+H-H2O]+ 257.201760 156.9
[M+HCOO]- 319.202701 184.8
[M+CH3COO]- 333.218351 212.3
[M+Na-2H]- 295.179166 163.8
[M]+ 274.20395142 165.7
[M]- 274.20504858 165.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.